1 GLU 1 999.9900 -1.0866 999.9900 -1.0323 .6899 -.4763 .6710 .5084 .5823 -.0499 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6715 .3181 .4653 -.3333 3 GLU 3 -2.5676 -2.3808 999.9900 -1.0323 .6899 -1.3227 .6786 .5230 .5878 -.6815 4 VAL 4 -2.6451 999.9900 .8055 999.9900 .7810 -.3529 .6611 .1277 .3499 -.0540 5 HIS 5 -3.0884 -1.3248 999.9900 999.9900 .6686 -1.2482 .6752 .3217 .4690 -.5495 6 ASN 6 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6760 .3755 .5007 -.8661 7 GLN 7 -2.2003 -1.1512 999.9900 1.3059 .5113 -.3836 .6688 .5232 .5839 -.0570 8 LEU 8 -.0766 -3.3760 999.9900 999.9900 .9565 -.8320 .6774 .1554 .3729 -.3327 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6705 .5326 .5901 -.4051 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6541 .0365 .2939 .3155 11 LYS 11 -.1765 -1.0793 999.9900 .3240 .7460 .0277 .6785 .1546 .3729 .1388 12 PHE 12 .0490 .9147 999.9900 999.9900 .7573 .5737 .6792 .1134 .3492 .5027 13 ARG 13 -.4439 -.2657 999.9900 .6901 .8581 .3057 .6732 .5165 .5818 .3883 14 LEU 14 -1.2495 -2.9612 999.9900 999.9900 .9565 -1.0847 .6784 .1497 .3700 -.4852 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6584 -.2655 .1194 .0879 16 ASP 16 .0771 -1.9171 999.9900 999.9900 .8104 -.3432 .6805 .3904 .5113 .0083 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5889 .4701 .5229 .7197 18 SER 18 .1787 999.9900 -.7153 999.9900 .6705 .0446 .6800 .5268 .5906 .2681 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6755 .3815 .5040 -.3387 20 ILE 20 -.4035 -3.0500 999.9900 999.9900 .6034 -.9500 .6617 .0578 .3095 -.4261 21 GLY 21 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .3834 .4871 .4410 -.0300 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5561 -.3766 .0121 .2509 23 LYS 23 -.2799 -1.9682 999.9900 -.0397 .7460 -.3163 .6742 .1759 .3835 -.1045 24 ALA 24 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6620 .3260 .4660 .2438 25 PHE 25 -.8057 -.4548 999.9900 999.9900 .7573 -.1677 .4875 .0921 .2568 .0153 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5399 -.3681 .0102 .2603 27 ASP 27 .2994 -.5889 999.9900 999.9900 .8104 .1736 .6692 .3820 .5017 .3144 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6643 .3124 .4590 .2119 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6578 -.2661 .1188 -.0531 30 THR 30 -.3748 999.9900 .4804 999.9900 .4476 .1844 .6586 -.2640 .1204 .1895 31 VAL 31 -1.6906 999.9900 -1.0788 999.9900 .7810 -.6628 .6576 .1112 .3389 -.2439 32 SER 32 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6850 .5369 .5986 .4169 33 ALA 33 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6633 .3153 .4603 .5973 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6789 .1388 .3638 -.1446 35 LYS 35 .6751 -1.3520 999.9900 -.4035 .7460 -.1476 .6789 .1547 .3731 .0137 36 GLU 36 .8604 -1.9198 999.9900 -1.0323 .6899 -.3505 .6770 .5299 .5912 -.0325 37 THR 37 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .6598 -.2501 .1290 .2427 38 VAL 38 .5646 999.9900 .2799 999.9900 .7810 .5418 .6553 .1254 .3462 .4813 39 ILE 39 .7069 .8778 999.9900 999.9900 .6034 .7294 .6567 .0447 .2997 .5779 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6817 .5323 .5945 .4090 41 GLU 41 .1449 -1.3804 999.9900 .3501 .6899 -.0489 .6785 .5212 .5867 .1674 42 TRP 42 -.0620 -3.3859 999.9900 999.9900 .9378 -.8367 .4880 .1801 .3084 -.3684 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5381 -.3741 .0060 -.4257 44 ARG 44 .3315 -1.0274 999.9900 .6901 .8581 .3085 .6810 .5192 .5866 .3918 45 GLU 45 -.1289 -.8169 999.9900 -1.0323 .6899 -.3220 .6719 .5153 .5805 -.0168 46 LYS 46 -2.1934 -1.8181 999.9900 -.4035 .7460 -.8145 .6822 .1645 .3802 -.4608 47 GLU 47 -3.2255 -.5163 999.9900 -1.0323 .6899 -1.0211 .6741 .5305 .5903 -.4799 48 ASN 48 -2.5793 -1.0148 999.9900 999.9900 .7518 -.9474 .6818 .3864 .5095 -.3548 49 GLY 49 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .3436 .4693 .4134 -.0639 50 PRO 50 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5570 -.3485 .0288 .2695 51 LYS 51 -3.5196 -1.5918 999.9900 -.4035 .7460 -1.0345 .6705 .1627 .3743 -.6199 52 THR 52 -.2569 999.9900 -.8810 999.9900 .4476 -.2301 .6595 -.2411 .1342 -.0544 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6586 .1291 .3497 .1362 54 LYS 54 .0195 -.9203 999.9900 .3546 .7460 .1109 .6799 .1549 .3737 .1985 55 GLU 55 -1.4945 -.7564 999.9900 .3501 .6899 -.3027 .6792 .5179 .5851 -.0023 56 VAL 56 .4158 999.9900 -.5532 999.9900 .7810 .2146 .6578 .1345 .3525 .2872 57 LYS 57 -.2512 -2.1617 999.9900 .3240 .7460 -.2037 .6756 .1584 .3739 -.0264 58 LEU 58 -.0792 -3.3760 999.9900 999.9900 .9565 -.8329 .6709 .1626 .3744 -.3330 59 ILE 59 .1962 .6227 999.9900 999.9900 .6034 .4741 .6559 .0488 .3017 .4254 60 SER 60 -1.3485 999.9900 -.7153 999.9900 .6705 -.4644 .6715 .5329 .5907 -.0378 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6673 .3218 .4657 -.1186 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5853 .4781 .5257 .5947 63 LYS 63 -.2455 -1.3520 999.9900 -.4035 .7460 -.3317 .6810 .1638 .3793 -.1162 64 VAL 64 -.3682 999.9900 .5873 999.9900 .7810 .3334 .6591 .1073 .3372 .3533 65 LEU 65 -.3112 -1.7966 999.9900 999.9900 .9565 -.3838 .6838 .1612 .3789 -.0613 66 GLU 66 -.7734 -1.5476 999.9900 1.7325 .6899 .0254 .6786 .5273 .5903 .2179 67 ASN 67 .6639 -1.4522 999.9900 999.9900 .7518 -.0121 .6805 .3816 .5061 .2051 68 SER 68 .6370 999.9900 .8786 999.9900 .6705 .7287 .6718 .5212 .5840 .6759 69 LYS 69 -.2345 -1.9682 999.9900 .1731 .7460 -.2221 .6740 .1546 .3710 -.0403 70 THR 70 -.6082 999.9900 -.8810 999.9900 .4476 -.3472 .6581 -.2500 .1284 -.1267 71 VAL 71 -.2252 999.9900 .5873 999.9900 .7810 .3811 .6604 .1250 .3481 .3857 72 LYS 72 .8536 -.8217 999.9900 1.2407 .7460 .6519 .6783 .1522 .3714 .5843 73 ASP 73 .6418 -2.3194 999.9900 999.9900 .8104 -.2891 .6788 .3848 .5073 .0393 74 TYR 74 -.5197 -4.1972 999.9900 999.9900 .5630 -1.3847 .6778 -.1765 .1794 -.7305 75 ARG 75 -.4636 -1.7413 999.9900 .1593 .8581 -.2056 .6795 .5158 .5840 .0239 76 SER 76 .1093 999.9900 -.7153 999.9900 .6705 .0215 .4875 .5309 .5128 .2166 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5460 -.3640 .0152 .1609 78 VAL 78 -2.9581 999.9900 -1.0788 999.9900 .7810 -1.0853 .6619 .1234 .3478 -.4941 79 SER 79 -2.1138 999.9900 -.0289 999.9900 .6705 -.4907 .6723 .5205 .5837 -.0559 80 ASN 80 -1.9210 -2.7010 999.9900 999.9900 .7518 -1.2901 .6806 .3806 .5056 -.5618 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6803 .1615 .3776 -.9866 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6678 .3214 .4658 -.4324 83 GLY 83 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .5818 .4707 .5201 .0779 84 ALA 84 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .6723 .3191 .4663 .2543 85 VAL 85 -1.1433 999.9900 .4980 999.9900 .7810 .0452 .6593 .1203 .3449 .1831 86 THR 86 .3447 999.9900 -.2947 999.9900 .4476 .1659 .6619 -.2590 .1247 .1801 87 THR 87 .2423 999.9900 .2916 999.9900 .4476 .3272 .6612 -.2695 .1183 .2747 88 MET 88 -.3503 -1.5870 999.9900 .9587 .5203 -.1146 .6772 .5119 .5808 .1218 89 HIS 89 -.4125 -1.3248 999.9900 999.9900 .6686 -.3562 .6713 .3344 .4748 -.0126 90 VAL 90 -.1853 999.9900 -.0276 999.9900 .7810 .1894 .6588 .1326 .3518 .2719 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6496 .0427 .2956 -.2800 92 ILE 92 .1597 -1.6252 999.9900 999.9900 .6034 -.2874 .6492 .0403 .2940 -.0345 93 GLN 93 -1.6601 .7982 999.9900 2.7911 .5113 .6101 .6798 .5223 .5880 .6071 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4724 .3178 .3822 .1437 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5517 -.3468 .0275 .0895 96 VAL 96 -3.2710 999.9900 -1.0788 999.9900 .7810 -1.1896 .6580 .1229 .3459 -.5576 97 THR 97 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6573 -.2558 .1247 -.1681 98 GLU 98 -1.5287 -.4051 999.9900 -1.0323 .6899 -.5691 .6800 .5151 .5838 -.1802 99 LYS 99 -3.5196 -.6131 999.9900 -.4035 .7460 -.8387 .6730 .1617 .3747 -.4799 100 GLU 100 -3.2255 -1.3804 999.9900 .3501 .6899 -.8915 .6764 .5215 .5860 -.3947 101 LYS 101 999.9900 -2.4344 999.9900 -.4035 999.9900 -1.0805 .6858 -.0470 .2671 -.5205 Means: -.7124 -1.5732 -.3583 .0819 .6979 -.2872 .6486 .2066 .3914 -.0129 2.00 analyzed_16